Summary

IMPPAT Phytochemical identifier: IMPHY009520

Phytochemical name: Maesol

Synonymous chemical names:
maesol

External chemical identifiers:
CID:128958

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Chemical structure information

SMILES:
COc1cc(CCCCCCCCCCCCc2cc(O)c(c(c2)OC)C)cc(c1C)O

InChI:
InChI=1S/C28H42O4/c1-21-25(29)17-23(19-27(21)31-3)15-13-11-9-7-5-6-8-10-12-14-16-24-18-26(30)22(2)28(20-24)32-4/h17-20,29-30H,5-16H2,1-4H3

InChIKey:
ZERGSFDWJKBKBQ-UHFFFAOYSA-N

DeepSMILES:
COcccCCCCCCCCCCCCcccO)ccc6)OC)))C)))))))))))))))))ccc6C))O

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCCCCCCCCCCCc2ccccc2)cc1

Scaffold Graph/Node level:
C(CCCCCCC1CCCCC1)CCCCCC1CCCCC1

Scaffold Graph level:
C(CCCCCCC1CCCCC1)CCCCCC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 0.483

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Chemical structure download